3797-0644 Screening compound: (6Z)-6-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0644 Screening compound: (6Z)-6-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0644 Screening compound: (6Z)-6-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0644
(6Z)-6-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3797-0644

Molecular Formula

C23H21BrN4O3S (C23 H21 BrN4 O3 S)

Compound Name

(6Z)-6-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-5-imino-2-(propan-2-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(C)C(SC1=NC(/C2=C\c(cc3OC)cc(Br)c3OCc3ccccc3)=O)=NN1C2=N

InChI

InChI=1S/C23H21BrN4O3S/c1-13(2)22-27-28-20(25)16(21(29)26-23(28)32-22)9-15-10-17(24)19(18(11-15)30-3)31-12-14-7-5-4-6-8-14/h4-11,13,25H,12H2,1-3H3

InChI Key

WEONGOZWCSMCCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02118541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

3.097

Water Solubility, LogSw

-4.84

Polar Surface Area

70.050

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 3797-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0644?
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What is the minimum amount of 3797-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0644
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3797-0644 available by request